⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8995774 | 1.00 | — | — | |
| SCHEMBL8995781 | 1.00 | — | — | |
| SCHEMBL8995777 | 1.00 | — | — | |
| SCHEMBL8995780 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8749602 | 0.97 | ROCK1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8749601 | 0.97 | ROCK1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8749703 | 0.97 | ROCK1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8749701 | 0.97 | ROCK1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8749605 | 0.97 | ROCK1 (0.33) | — | |
| SCHEMBL1099368 | 0.81 | ROCK1 (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5516806-A | ANTITUMOR | CIBA-GEIGY CORPORATION (US) | 1996-05-14 | — | — | US | claimed |
| EP-0644872-A1 | ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS. | CIBA GEIGY AG (CH) | 1995-03-29 | — | — | EP | claimed |
| WO-1994024093-A1 | ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS | CIBA-GEIGY AG (CH) | 1994-10-27 | — | — | WO | claimed |